input word = C00022599

Metabolite InformationStructural formula
Name 3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Formula C28H44O6
Mw 476.31378914
CAS RN 113476-71-4
C_ID C00022599 ,
InChIKey PTXFILVMPVEYCP-QBTPVCKJNA-N
InChICode InChI=1S/C28H44O6/c1-18(2)16-25(31)33-15-13-19(3)8-10-21-20(4)9-11-22-27(5,6)23(12-14-28(21,22)7)34-26(32)17-24(29)30/h9,13,18,21-23H,8,10-12,14-17H2,1-7H3,(H,29,30)/b19-13+/t21-,22-,23+,28-/m1/s1
SMILES CC1=CC[C@@H]2C(C)(C)[C@@H](OC(=O)CC(=O)O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCorymbium villosum Ref.
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OrganismCorymbium villosum
ReferenceZdero,Phytochem.,27,(1988),227